| Autor: |
Henrik Löfås, Anton Grigoriev, Jan Isberg, Rajeev Ahuja |
| Jazyk: |
angličtina |
| Rok vydání: |
2011 |
| Předmět: |
|
| Zdroj: |
AIP Advances, Vol 1, Iss 3, Pp 032139-032139-5 (2011) |
| Druh dokumentu: |
article |
| ISSN: |
2158-3226 |
| DOI: |
10.1063/1.3630932 |
| Popis: |
We present calculated interband transitions and effective masses for diamond from first principles including electron correlation effects via the GW-approximation. Our findings are in agreement with experiments, already the first iteration of the GW-scheme gives a direct gap at the gamma-point of 7.38 eV and a indirect gap of 5.75 eV close to experimental values. For deeper bands a quasiparticle self-consistent method is necessary to accurately reproduce the valence band width to 23.1 eV. We also obtain effective hole masses along different symmetry axes and electron conduction masses, ml = 1.1m0 and mt = 0.22m0 |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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